Explore protein conformational space with variational autoencoder
Molecular dynamics (MD) simulations have been actively used in the study of protein
structure and function. However, extensive sampling in the protein conformational space …
structure and function. However, extensive sampling in the protein conformational space …
Prediction of residue-specific contributions to binding and thermal stability using yeast surface display
Accurate prediction of residue burial as well as quantitative prediction of residue-specific
contributions to protein stability and activity is challenging, especially in the absence of …
contributions to protein stability and activity is challenging, especially in the absence of …
Elucidating the molecular determinants of Aβ aggregation with deep mutational scanning
VE Gray, K Sitko, FZN Kameni… - G3: Genes …, 2019 - academic.oup.com
Despite the importance of Aβ aggregation in Alzheimer's disease etiology, our
understanding of the sequence determinants of aggregation is sparse and largely derived …
understanding of the sequence determinants of aggregation is sparse and largely derived …
In-silico validation and fabrication of matrix diffusion-based polymeric transdermal patches for repurposing gabapentin hydrochloride in neuropathic pain
Background: Gabapentin (GBP) is an FDA-approved drug for the treatment of partial and
secondary generalized seizures, apart from being used for diabetic neuropathic pain. GBP …
secondary generalized seizures, apart from being used for diabetic neuropathic pain. GBP …
[PDF][PDF] This file includes
S Ahmed, K Manjunath, R Varadarajan - scholar.archive.org
Quantitative prediction of residue-specific contributions to protein stability and activity is
challenging, especially in the absence of experimental structural information. This is …
challenging, especially in the absence of experimental structural information. This is …